Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIAVKTCGKLYWAGEYAILEPGQLALIKDIPIYMRAEIAFSDSYRIYSDMFDFAVDLRPNPDYSLIQETIALMGDFLAVRGQNLRPFSLAIYGKMEREGKKFGLGSSGSVVVLVVKALLALYNLSVDQNLLFKLTSAVLLKRGDNGSMGDLACIAAEDLVLYQSFDRQKVAAWLEEENLATVLERDWGFSISQVKPTLECDFLVGWTKEVAVSSHMVQQIKQNINQNFLTSSKETVVSLVEALEQGKSEKIIEQVEVASKLLEGLSTDIYTPLLRQLKEASQDLQAVAKSSGAGGGDCGIALSFDAQSTKTLKNRWADLGIELLYQERIGHDDKS 4USM Chain:A ((115-159)) ------------------------------------------------------------------------------------------------------GLGSSSTLVVVMIKAFVELLNLPLDDYAIAQL--AYRIERVDCGLAG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4USM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 85 -20255 -238.29 -450.11 target 2D structure prediction score : 0.87 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -238.29 2D Compatibility (Sec. Struct. Predict.) : 0.87 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.657

(partial model without unconserved sides chains): PDB file : Tito_4USM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4USM-query.scw PDB file : Tito_Scwrl_4USM.pdb: